Crystallography Open Database

Information card for entry 1550730

Preview

Coordinates	1550730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H202 K5 N12 O32 Rh3 Sn24
Calculated formula	C103 H202 K5 N12 O32 Rh3 Sn24
SMILES	[Sn]1234567[Sn]89%10%11%12[Sn]%13%14%15%16%171[Sn]1%18%19%20%21[Sn]%22%23%242([Sn]2%2581([Sn]18%26[Sn]%27%28%29%30[Sn]%31%324[Sn]45%27[Sn]91%28[Rh]7%11%242%26%30%324[Sn]%228%29%31)[Sn]124[Sn]5789[Sn]%11%101[Sn]1%145[Sn]5%157[Sn]%1928[Rh]%12%17%21%2549%1115)[Sn]124[Sn]5789[Sn]%10%11%13[Sn]%125[Sn]317[Rh]6%16%20%2349%11%12[Sn]%1828%10.[K]1234567[O]8CC[O]1CC[N]17CC[O]4CC[O]5CC[N]6(CC8)CC[O]2CC[O]3CC1.[K]1234567[O]8CC[N]96CC[O]4CC[O]3CC[N]5(CC[O]1CC8)CC[O]7CC[O]2CC9.[K]1234567[O]8CC[O]1CC[N]16CC[O]4CC[O]2CC[N]7(CC8)CC[O]5CC[O]3CC1.[K]1234567[O]8CC[N]97CC[O]2CC[O]1CC[N]6(CC[O]3CC[O]4CC9)CC[O]5CC8.[K]1234567[O]8CC[O]1CC[N]16CC[O]2CC[O]5CC[N]7(CC[O]3CC[O]4CC1)CC8.O=CN(C)C.N(C)(C)C=O.c1cc(ccc1)C
Title of publication	Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒
Authors of publication	Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming
Journal of publication	Chemical Science
Year of publication	2019
a	16.3305 ± 0.0008 Å
b	19.4097 ± 0.001 Å
c	28.6354 ± 0.0015 Å
α	94.786 ± 0.001°
β	98.753 ± 0.001°
γ	112.59 ± 0.001°
Cell volume	8181.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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