Crystallography Open Database

Information card for entry 4103232

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Coordinates	4103232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Cl4 Cr2 Mn N12
Calculated formula	C41 H34 Cl4 Cr2 Mn N12
Title of publication	Crystals in Which Some Metal Atoms are More Equal Than Others: Inequalities From Crystal Packing and Their Spectroscopic/Magnetic Consequences
Authors of publication	Michael Nippe; Jingfang Wang; Eckhard Bill; Håkon Hope; Naresh S. Dalal; John F. Berry
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14261 - 14272
a	11.3859 ± 0.0004 Å
b	14.1065 ± 0.0004 Å
c	12.8842 ± 0.0004 Å
α	90°
β	89.9967 ± 0.0004°
γ	90°
Cell volume	2069.4 ± 0.11 Å³
Cell temperature	11 ± 2 K
Ambient diffraction temperature	11 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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