Crystallography Open Database

Information card for entry 7703132

Preview

Coordinates	7703132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C189 H150 Cl12 Cu12 N24 O12
Calculated formula	C189 H150 Cl12 Cu12 N24 O12
Title of publication	A systematic investigation of structural transformation in a copper pyrazolato system: a case study.
Authors of publication	Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1116 - 1123
a	29.0602 ± 0.0006 Å
b	16.4786 ± 0.0006 Å
c	19.3166 ± 0.0004 Å
α	90°
β	100.198 ± 0.002°
γ	90°
Cell volume	9104 ± 0.4 Å³
Cell temperature	120 ± 14 K
Ambient diffraction temperature	120 ± 14 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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