Crystallography Open Database

Information card for entry 7112900

Preview

Coordinates	7112900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H85 N2 P2 Zn2
Calculated formula	C74 H85 N2 P2 Zn2
Title of publication	Reactions of dizincocene with sterically demanding bis(iminodi(phenyl)phosphorano)methanes.
Authors of publication	Schulz, Stephan; Gondzik, Sebastian; Schuchmann, Daniella; Westphal, Ulrich; Dobrzycki, Lukasz; Boese, Roland; Harder, Sjoerd
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	41
Pages of publication	7757 - 7759
a	12.632 ± 0.0004 Å
b	13.514 ± 0.0005 Å
c	21.8795 ± 0.0007 Å
α	73.933 ± 0.001°
β	89.006 ± 0.001°
γ	64.262 ± 0.001°
Cell volume	3210.15 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0458
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112900.cif
112149	2014-04-30	cif/ Adding structures of 7112900, 7112901 via cif-deposit CGI script.	7112900.cif