Crystallography Open Database

Information card for entry 7050115

Preview

Coordinates	7050115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H44 Cd4 N4 O16
Calculated formula	C58 H44 Cd4 N4 O16
Title of publication	A rare metal‒organic 3D architecture with a pseudo-primitive cubic topology with double edges constructed from a 12-connected SBU
Authors of publication	Wen, Yi-Hang; Zhang, Jian; Wang, Xiao-Qin; Feng, Yun-Long; Cheng, Jian-kai; Li, Zhao-Ji; Yao, Yuan-Gen
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	8
Pages of publication	995
a	9.6773 ± 0.0001 Å
b	10.2288 ± 0.0002 Å
c	14.8317 ± 0.0003 Å
α	88.96 ± 0.001°
β	71.712 ± 0.001°
γ	75.763 ± 0.001°
Cell volume	1348.4 ± 0.04 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 significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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