Crystallography Open Database

Information card for entry 4114578

Preview

Coordinates	4114578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H84 N4 Nb2 P4 Si8
Calculated formula	C48 H78 N4 Nb2 P4 Si8
Title of publication	Phosphorus Phenyl-Group Activation by Reduced Zirconium and Niobium Complexes Stabilized by the [P2N2] Macrocycle
Authors of publication	Michael D. Fryzuk; Christopher M. Kozak; Parisa Mehrkhodavandi; Lara Morello; Brian O. Patrick; Steven J. Rettig
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	516 - 517
a	10.186 ± 0.0006 Å
b	11.2073 ± 0.0006 Å
c	13.2219 ± 0.0007 Å
α	86.865 ± 0.002°
β	88.448 ± 0.003°
γ	86.208 ± 0.004°
Cell volume	1503.4 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178916 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45.	4114578.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114578.cif
67909	2012-10-09	cif/ Adding structures of 4114578 via cif-deposit CGI script.	4114578.cif