Crystallography Open Database

Information card for entry 7212604

Preview

Coordinates	7212604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Cu3 N6 O23
Calculated formula	C38 H30 Cu3 N6 O23
Title of publication	The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks
Authors of publication	Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3437
a	12.2892 ± 0.0015 Å
b	11.0889 ± 0.0014 Å
c	16.49 ± 0.002 Å
α	90°
β	110.129 ± 0.014°
γ	90°
Cell volume	2109.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180457 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212604.cif
93163	2014-01-12	cif/ Adding structures of 7212604, 7212605 via cif-deposit CGI script.	7212604.cif