Crystallography Open Database

Information card for entry 4302659

Preview

Coordinates	4302659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.2 H52.8 N6 O1.2
Calculated formula	C35.199 H52.796 N6 O1.199
Title of publication	Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries
Authors of publication	Peter Comba; Christina Haaf; Hubert Wadepohl
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6604 - 6614
a	10.384 ± 0.005 Å
b	26.503 ± 0.012 Å
c	12.176 ± 0.005 Å
α	90°
β	96.077 ± 0.011°
γ	90°
Cell volume	3332 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0821
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4302659.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302659.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302659.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302659.cif