Crystallography Open Database

Information card for entry 4332731

Preview

Coordinates	4332731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Cl Cu N5 O6
Calculated formula	C8 H8 Cl Cu N5 O6
Title of publication	NaCl-Type Frameworks of [M(pyrazine)2NO2]ClO4(M = Co, Cu), the First Examples Containing μ1,3-Nitrito Bridges Showing Antiferromagnetism
Authors of publication	Liu, Tao; Chen, Yi-Hong; Zhang, Yan-Juan; Wang, Zhe-Ming; Gao, Song
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	23
Pages of publication	9148 - 9150
a	9.7253 ± 0.0002 Å
b	9.7253 ± 0.0002 Å
c	6.6458 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	628.57 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	125
Hermann-Mauguin space group symbol	P 4/n b m :2
Hall space group symbol	-P 4a 2b
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332731.cif
98511	2014-01-30	cif/ Adding structures of 4332731 via cif-deposit CGI script.	4332731.cif