Crystallography Open Database

Information card for entry 7217299

Preview

Coordinates	7217299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cl2 N2 O0 Ru
Calculated formula	C18 H22 Cl2 N2 Ru
SMILES	[Ru]12345(Cl)(Cl)([NH2]c6ccc(CC#N)cc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
Title of publication	Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes
Authors of publication	Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	38
Pages of publication	9125
a	10.1443 ± 0.0017 Å
b	18.539 ± 0.003 Å
c	11.6609 ± 0.0015 Å
α	90°
β	122.58 ± 0.01°
γ	90°
Cell volume	1847.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0588
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.334
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
180503 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217299.cif
124669	2014-10-06	cif/ Updating files of 7217298, 7217299, 7217300, 7217301, 7217302, 7217303, 7217304, 7217305 Original log message: Adding full bibliography for 7217298--7217305.cif.	7217299.cif
121093	2014-08-02	cif/ Adding structures of 7217298, 7217299, 7217300, 7217301, 7217302, 7217303, 7217304, 7217305 via cif-deposit CGI script.	7217299.cif