Crystallography Open Database

Information card for entry 7112901

Preview

Coordinates	7112901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H86 N4 P4 Zn2
Calculated formula	C95 H86 N4 P4 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	30.7145 ± 0.0015 Å
b	9.7542 ± 0.0005 Å
c	29.716 ± 0.002 Å
α	90°
β	119.159 ± 0.001°
γ	90°
Cell volume	7774.5 ± 0.8 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
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	0.0536
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7112901.cif
112149	2014-04-30	cif/ Adding structures of 7112900, 7112901 via cif-deposit CGI script.	7112901.cif