Crystallography Open Database

Information card for entry 7063089

Preview

Coordinates	7063089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 Cl F6 N3 P Ru
Calculated formula	C36 H35 Cl F6 N3 P Ru
SMILES	[Ru]123456(Cl)([N]7N(C(CC=7c7[n]1cccc7)c1ccc(cc1)c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis, characterization, and anticancer activity of Ru(p-cymene) complexes bearing pyrazolyl–pyridine type ligands
Authors of publication	Mounica, Arangasamy; Kumar, Arumugam Madan; Bhuvanesh, Nattamai S. P.; Ganeshpandian, Mani
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	14
Pages of publication	6392 - 6400
a	27.4244 ± 0.001 Å
b	10.1468 ± 0.0004 Å
c	26.5011 ± 0.001 Å
α	90°
β	110.591 ± 0.001°
γ	90°
Cell volume	6903.3 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
291018 (current)	2024-04-05	cif/ Updating files of 7063089 Original log message: Adding full bibliography for 7063089.cif.	7063089.cif
290529	2024-03-19	cif/ Adding structures of 7063089 via cif-deposit CGI script.	7063089.cif