Crystallography Open Database

Information card for entry 8104999

Preview

Coordinates	8104999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H58 Cl2 Cu N12
Calculated formula	C36 H58 Cl2 Cu N12
Title of publication	The crystal structure of hexakis(1-isopropyl-1H-imidazole-κ1N)copper(II) dichloride, C36H58Cl2CuN12
Authors of publication	Cheng, Miao; Cheng, Shuang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	11 - 13
a	8.149 ± 0.0008 Å
b	17.0301 ± 0.0015 Å
c	16.8649 ± 0.0014 Å
α	90°
β	101.629 ± 0.003°
γ	90°
Cell volume	2292.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0717
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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