Crystallography Open Database

Information card for entry 4073807

Preview

Coordinates	4073807.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[C(Ph2P=NTMS)2Ba.THF]2
Formula	C35 H46 Ba N2 O P2 Si2
Calculated formula	C35 H46 Ba N2 O P2 Si2
Title of publication	Syntheses, Structures, and Reactivity of Barium Carbene Complexes with Chelating Bis-iminophosphorano Arms
Authors of publication	Orzechowski, Lars; Harder, Sjoerd
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	23
Pages of publication	5501
a	12.2767 ± 0.0003 Å
b	13.7861 ± 0.0003 Å
c	13.844 ± 0.0003 Å
α	79.957 ± 0.001°
β	64.154 ± 0.001°
γ	78.575 ± 0.001°
Cell volume	2056.59 ± 0.08 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178627 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/38.	4073807.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073807.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073807.cif
46557	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073807 via cif-deposit CGI script.	4073807.cif