Crystallography Open Database

Information card for entry 7118244

Preview

Coordinates	7118244.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Di(carbonyl)-N,N'-dibenzylamidiniumcarbyne)-hydridotris(3,5-dimethylpyrazolylborato)tungsten(II)-hexafluorophosphate
Formula	C33 H38 B F6 N8 O2 P W
Calculated formula	C33 H38 B F6 N8 O2 P W
Title of publication	Dual nucleophilic substitution at a W(ii) η(2)-coordinated diiodo acetylene leading to an amidinium carbyne complex.
Authors of publication	Helmdach, Kai; Rüger, Julia; Villinger, Alexander; Seidel, Wolfram W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	12
Pages of publication	2616 - 2619
a	25.7178 ± 0.0009 Å
b	11.6201 ± 0.0004 Å
c	25.7435 ± 0.0008 Å
α	90°
β	97.686 ± 0.002°
γ	90°
Cell volume	7624.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
175867 (current)	2016-02-04	cif/ Updating files of 7118243, 7118244 Original log message: Adding full bibliography for 7118243--7118244.cif.	7118244.cif
173473	2016-01-05	cif/ Adding structures of 7118243, 7118244 via cif-deposit CGI script.	7118244.cif