Crystallography Open Database

Information card for entry 7232431

Preview

Coordinates	7232431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H28 Br16 N4 O9 V
Calculated formula	C52 H28 Br16 N4 O9 V
Title of publication	Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media
Authors of publication	Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	7
Pages of publication	1757
a	20.733 ± 0.009 Å
b	26.304 ± 0.012 Å
c	28.112 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	15331 ± 12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.2234
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2369
Weighted residual factors for all reflections included in the refinement	0.3034
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
224622 (current)	2019-11-08	cif/ Updating files of 7232431, 7232432 Original log message: Adding full bibliography for 7232431--7232432.cif.	7232431.cif
213781	2019-02-22	cif/ Adding structures of 7232431, 7232432 via cif-deposit CGI script.	7232431.cif