Crystallography Open Database

Information card for entry 4105894

Preview

Coordinates	4105894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl2 Cu8 N48 O11
Calculated formula	C12 H8 Cl2 Cu8 N48 O11
Title of publication	A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer
Authors of publication	Xian-Ming Zhang; Jin Lv; Fang Ji; Hai-Shun Wu; Haijun Jiao; Paul V. R. Schleyer
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4788 - 4790
a	13.1544 ± 0.0009 Å
b	13.1544 ± 0.0009 Å
c	12.0402 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2083.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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