Crystallography Open Database

Information card for entry 8105084

Preview

Coordinates	8105084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 Cl3 Cr N7 O3
Calculated formula	C27 H33 Cl3 Cr N7 O3
Title of publication	The crystal structure of dichlorido-(tris(2-benzimidazolylmethyl)amine-κ4 N,N′,N′′,N′′′)chromium(III) chloride — methanol (1/3), CrC27H33Cl3N7O3
Authors of publication	Li, Ji; Wu, Siqi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	285 - 287
a	9.7862 ± 0.0013 Å
b	12.469 ± 0.0017 Å
c	12.8413 ± 0.0017 Å
α	84.163 ± 0.002°
β	73.602 ± 0.003°
γ	85.524 ± 0.002°
Cell volume	1493.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274748 (current)	2022-04-28	cif/ Adding structures of 8105084 via cif-deposit CGI script.	8105084.cif