Crystallography Open Database

Information card for entry 4336675

Preview

Coordinates	4336675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H59 B N10 Ni O
Calculated formula	C60 H59 B N10 Ni O
Title of publication	A Tripodal Ligand Constructed from Mesoionic Carbene Donors
Authors of publication	Wei-Tsung Lee; Diane A. Dickie; Alejandro J. Metta-Magaña; Jeremy M. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12842 - 12846
a	31.314 ± 0.005 Å
b	15.18 ± 0.003 Å
c	31.542 ± 0.005 Å
α	90°
β	115.455 ± 0.009°
γ	90°
Cell volume	13538 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1914
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
179469 (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 4/33/66.	4336675.cif
102682	2014-02-21	cif/ Adding structures of 4336675 via cif-deposit CGI script.	4336675.cif