Crystallography Open Database

Information card for entry 4331738

Preview

Coordinates	4331738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H20 F15 Mo N4 O
Calculated formula	C49 H20 F15 Mo N4 O
SMILES	[Mo]123(=O)n4c5ccc4C(=c4ccc(=C(c6ccc(C(=c7ccc5[n]37)c3c(F)c(F)c(F)c(F)c3F)n26)c2c(F)c(F)c(F)c(F)c2F)n14)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1.c1ccccc1
Title of publication	Synthesis and Full Characterization of Molybdenum and Antimony Corroles and Utilization of the Latter Complexes as Very Efficient Catalysts for Highly Selective Aerobic Oxygenation Reactions
Authors of publication	Luobeznova, Inna; Raizman, Marina; Goldberg, Israel; Gross, Zeev
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	386 - 394
a	8.4738 ± 0.0001 Å
b	13.6757 ± 0.0003 Å
c	19.525 ± 0.0005 Å
α	70.772 ± 0.0011°
β	84.544 ± 0.0015°
γ	72.697 ± 0.0014°
Cell volume	2039.74 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0571
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179420 (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 4/33/17.	4331738.cif
97847	2014-01-29	cif/ Adding structures of 4331738 via cif-deposit CGI script.	4331738.cif