Crystallography Open Database

Information card for entry 7207941

7207940 << 7207941 >> 7207942

Preview

Coordinates	7207941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 Cu3 N5 O12
Calculated formula	C32 H23 Cu3 N5 O12
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	7.778 ± 0.004 Å
b	13.275 ± 0.007 Å
c	16.678 ± 0.008 Å
α	81.622 ± 0.01°
β	86.283 ± 0.012°
γ	88.301 ± 0.014°
Cell volume	1699.7 ± 1.5 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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 all reflections	0.0495
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
180410 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/79.	7207941.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207941.cif
60398	2012-06-14	cif/ Adding structures of 7207941, 7207942 via cif-deposit CGI script.	7207941.cif