Crystallography Open Database

Information card for entry 8107419

Preview

Coordinates	8107419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cr F6 N6 P
Calculated formula	C22 H16 Cr F6 N6 P
SMILES	[Cr]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(C#N)C#N.[P](F)(F)(F)(F)(F)[F-]
Title of publication	The crystal structure of cis-Dicyano-bis(2,2′-bipyridine)k2 N,N′-chromium(III) hexafluorophosphate, C22H16N6F6PCr
Authors of publication	Zhuo, Linhai; Zhang, Jinjun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	289 - 291
a	11.3511 ± 0.0007 Å
b	12.135 ± 0.0008 Å
c	17.382 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2394.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
284529 (current)	2023-06-26	cif/ Adding structures of 8107419 via cif-deposit CGI script.	8107419.cif