Crystallography Open Database

Information card for entry 7220506

7220505 << 7220506 >> 7220507

Preview

Coordinates	7220506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cu N6 O9
Calculated formula	C29 H23 Cu N6 O9
Title of publication	Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene
Authors of publication	Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	26
Pages of publication	4883
a	13.5914 ± 0.0006 Å
b	12.6315 ± 0.0007 Å
c	18.4809 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3172.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220506.cif
143369	2015-07-10	cif/ Updating files of 7220504, 7220505, 7220506, 7220507, 7220508, 7220509 Original log message: Adding full bibliography for 7220504--7220509.cif.	7220506.cif
137078	2015-05-21	cif/ Adding structures of 7220504, 7220505, 7220506, 7220507, 7220508, 7220509 via cif-deposit CGI script.	7220506.cif