Crystallography Open Database

Information card for entry 4086301

Preview

Coordinates	4086301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6.5 H11 Cr0.5 F3 N1.5 Sb0.5
Calculated formula	C6.5 H11 Cr0.5 F3 N1.5 Sb0.5
Title of publication	Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes
Authors of publication	Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	18
Pages of publication	4567
a	15.573 ± 0.002 Å
b	8.0007 ± 0.0011 Å
c	15.503 ± 0.002 Å
α	90°
β	97.7172 ± 0.0016°
γ	90°
Cell volume	1914.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.0809
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4086301.cif
160442	2015-10-06	cif/ Adding structures of 4086301, 4086302, 4086303, 4086304, 4086305, 4086306 via cif-deposit CGI script.	4086301.cif