Crystallography Open Database

Information card for entry 7001066

Preview

Coordinates	7001066.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ca=C(PPh2BH3)2
Formula	C73 H83 B4 Ca2 O2 P4
Calculated formula	C73 H83 B4 Ca2 O2 P4
Title of publication	Calcium carbene complexes with boranophosphorano side-arms: CaC[P(Ph)2BH3]2
Authors of publication	Orzechowski, Lars; Jansen, Georg; Lutz, Martin; Harder, Sjoerd
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	16
Pages of publication	2958 - 2964
a	20.6437 ± 0.0001 Å
b	11.2943 ± 0.0001 Å
c	33.4613 ± 0.0003 Å
α	90°
β	117.652 ± 0.0004°
γ	90°
Cell volume	6910.62 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
179688 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/10.	7001066.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001066.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001066.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001066.cif