Crystallography Open Database

Information card for entry 7023021

Preview

Coordinates	7023021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C218 H394 N4 O39 Sn18
Calculated formula	C218 H394 N4 O39 Sn18
Title of publication	A novel macrocyclic organotin carboxylate containing a nona-nuclear long ladder.
Authors of publication	Xiao, Xiao; Shao, Kuizhan; Yan, Lisong; Mei, Zemin; Zhu, Dongsheng; Xu, Lin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	43
Pages of publication	15387 - 15390
a	12.6937 ± 0.0007 Å
b	21.032 ± 0.0012 Å
c	26.3364 ± 0.0014 Å
α	107.091 ± 0.001°
β	99.236 ± 0.001°
γ	100.13 ± 0.001°
Cell volume	6445.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1667
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	Yes
Has F_obs	No

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