Crystallography Open Database

Information card for entry 4334510

Preview

Coordinates	4334510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H64 F30 Mg Mo2 N8 O8
Calculated formula	C98 H64 F30 Mg Mo2 N8 O8
Title of publication	Intriguing Chemistry of Molybdenum Corroles
Authors of publication	Izana Nigel-Etinger; Israel Goldberg; Zeev Gross
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4139 - 4141
a	15.0152 ± 0.0007 Å
b	15.689 ± 0.0006 Å
c	24.8277 ± 0.0012 Å
α	90°
β	102.512 ± 0.0017°
γ	90°
Cell volume	5709.8 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.126
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179448 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/45.	4334510.cif
100338	2014-02-04	cif/ Adding structures of 4334510 via cif-deposit CGI script.	4334510.cif