Crystallography Open Database

Information card for entry 7011527

Preview

Coordinates	7011527.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 2
Formula	C42.5 H85 K N8 P4 Zr
Calculated formula	C42.5 H85 K N8 P4 Zr
Title of publication	The formation of an imidozirconium compound by migration of the imido group from phosphorus to zirconium
Authors of publication	Bai, Guangcai; Roesky, Herbert W.; Noltemeyer, Mathias; Schmidt, Hans-Georg
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	12
Pages of publication	2437 - 2440
a	11.07 ± 0.006 Å
b	13.937 ± 0.012 Å
c	18.628 ± 0.015 Å
α	72.35 ± 0.06°
β	85.56 ± 0.05°
γ	82.79 ± 0.06°
Cell volume	2715 ± 4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0647
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179819 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15.	7011527.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7011527.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011527.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011527.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011527.cif