Crystallography Open Database

Information card for entry 4328970

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Coordinates	4328970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H63 Cu11 N22 O4
Calculated formula	C44 H63 Cu11 N22 O4
Title of publication	Copper(I) and Silver(I) 2-Methylimidazolates: Extended Isomerism, Isomerization, and Host-Guest Properties
Authors of publication	Yu Wang; Chun-Ting He; Yi-Jiang Liu; Tian-Qi Zhao; Xiao-Min Lu; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4772 - 4778
a	14.452 ± 0.004 Å
b	27.712 ± 0.007 Å
c	11.427 ± 0.003 Å
α	90°
β	125.899 ± 0.004°
γ	90°
Cell volume	3707.2 ± 1.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.188
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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