Crystallography Open Database

Information card for entry 7211336

Preview

Coordinates	7211336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 Cu2 N5 O5
Calculated formula	C16 H21.228 Cu2 N5 O5
Title of publication	Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition
Authors of publication	Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9530
a	10.978 ± 0.0003 Å
b	10.978 ± 0.0003 Å
c	9.1059 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1097.41 ± 0.06 Å³
Cell temperature	440 ± 2 K
Ambient diffraction temperature	440 ± 2 K
Number of distinct elements	5
Space group number	102
Hermann-Mauguin space group symbol	P 42 n m
Hall space group symbol	P 4n -2n
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (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 7/21/13.	7211336.cif
91424	2013-12-13	cif/ Adding structures of 7211332, 7211333, 7211334, 7211335, 7211336, 7211337, 7211338 via cif-deposit CGI script.	7211336.cif