Crystallography Open Database

Information card for entry 7019194

7019193 << 7019194 >> 7019195

Preview

Coordinates	7019194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H60 N4 Nb P3
Calculated formula	C49 H60 N4 Nb P3
SMILES	[Nb](N(C(C)C)P(c1ccccc1)c1ccccc1)(N(C(C)C)P(c1ccccc1)c1ccccc1)(N(C(C)C)P(c1ccccc1)c1ccccc1)=NC(C)(C)C
Title of publication	Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i).
Authors of publication	Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	8111 - 8115
a	11.5194 ± 0.0007 Å
b	12.7582 ± 0.0008 Å
c	16.2521 ± 0.001 Å
α	85.882 ± 0.003°
β	84.414 ± 0.003°
γ	76.135 ± 0.003°
Cell volume	2305 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for all reflections	0.0733
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	0.9839
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019194.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019194.cif
62801	2012-07-09	cif/ Adding structures of 7019194, 7019195, 7019196, 7019197, 7019198 via cif-deposit CGI script.	7019194.cif