Crystallography Open Database

Information card for entry 7041558

Preview

Coordinates	7041558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Br4 Co N O12 P3 Ru
Calculated formula	C17 H23 Br4 Co N O12 P3 Ru
SMILES	[Ru]123(Oc4c(O1)c(Br)c(Br)c(Br)c4Br)(O[P]([Co]1456([P](O3)(OC)OC)([P](O2)(OC)OC)[cH]2[cH]5[cH]4[cH]6[cH]12)(OC)OC)N=O
Title of publication	Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.
Authors of publication	Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	4
Pages of publication	1186 - 1193
a	24.071 ± 0.003 Å
b	14.2382 ± 0.0017 Å
c	17.677 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6058.4 ± 1.3 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191614 (current)	2017-02-04	cif/ Updating files of 7041555, 7041556, 7041557, 7041558, 7041559 Original log message: Adding full bibliography for 7041555--7041559.cif.	7041558.cif
189350	2016-12-23	cif/ Adding structures of 7041555, 7041556, 7041557, 7041558, 7041559 via cif-deposit CGI script.	7041558.cif