Crystallography Open Database

Information card for entry 7055531

Preview

Coordinates	7055531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H56 Cl18 N4 Ta2
Calculated formula	C46 H56 Cl18 N4 Ta2
Title of publication	Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states
Authors of publication	Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	6270
a	13.87 ± 0.002 Å
b	15.029 ± 0.002 Å
c	17.015 ± 0.003 Å
α	66.68 ± 0.002°
β	86.872 ± 0.002°
γ	71.673 ± 0.002°
Cell volume	3081.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0584
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
185571 (current)	2016-08-07	cif/ Updating files of 7055529, 7055530, 7055531 Original log message: Adding full bibliography for 7055529--7055531.cif.	7055531.cif
182467	2016-05-04	cif/ Adding structures of 7055529, 7055530, 7055531 via cif-deposit CGI script.	7055531.cif