Crystallography Open Database

Information card for entry 7207942

7207941 << 7207942 >> 7207943

Preview

Coordinates	7207942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H22.5 Cu2 N4.5 O13.5
Calculated formula	C28.5 H22.5 Cu2 N4.5 O13.5
Title of publication	Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network
Authors of publication	Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	12
Pages of publication	4181
a	23.039 ± 0.002 Å
b	8.756 ± 0.0006 Å
c	21.7481 ± 0.0019 Å
α	90°
β	109.477 ± 0.005°
γ	90°
Cell volume	4136.2 ± 0.6 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1918
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7207942.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207942.cif
60398	2012-06-14	cif/ Adding structures of 7207941, 7207942 via cif-deposit CGI script.	7207942.cif