Crystallography Open Database

Information card for entry 7209853

7209852 << 7209853 >> 7209854

Preview

Coordinates	7209853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cl Cu2 N4 O5
Calculated formula	C10 H8 Cl Cu2 N4 O5
Title of publication	The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction
Authors of publication	Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	26
Pages of publication	5359
a	11.545 ± 0.007 Å
b	7.765 ± 0.005 Å
c	14.669 ± 0.009 Å
α	90°
β	95.146 ± 0.008°
γ	90°
Cell volume	1309.7 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1617
Residual factor for significantly intense reflections	0.1278
Weighted residual factors for significantly intense reflections	0.2654
Weighted residual factors for all reflections included in the refinement	0.2857
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209853.cif
86867	2013-07-12	cif/ Adding structures of 7209852, 7209853, 7209854 via cif-deposit CGI script.	7209853.cif