Crystallography Open Database

Information card for entry 7016862

Preview

Coordinates	7016862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H72 B2 N7 Ni
Calculated formula	C72 H72 B2 N7 Ni
Title of publication	Nickel(ii) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.
Authors of publication	Balamurugan, Mani; Mayilmurugan, Ramasamy; Suresh, Eringathodi; Palaniandavar, Mallayan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	37
Pages of publication	9413 - 9424
a	20.1135 ± 0.0016 Å
b	13.4486 ± 0.0011 Å
c	23.751 ± 0.0019 Å
α	90°
β	110.286 ± 0.002°
γ	90°
Cell volume	6026.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1342
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	0.836
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
179872 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68.	7016862.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016862.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016862.cif
28096	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016861, 7016862, 7016863, 7016864 via cif-deposit CGI script.	7016862.cif