Crystallography Open Database

Information card for entry 7712634

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Coordinates	7712634.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RuDTolP(CO)H2O
Chemical name	aqua-[5,15-bis(4-methylphenyl)porphyrinato]-carbonyl-ruthenium chloroform solvate
Formula	C37 H26 Cl6 N4 O2 Ru
Calculated formula	C37 H26 Cl6 N4 O2 Ru
Title of publication	Supramolecular Hybrids Based on Ru(II) Porphyrin and Octahedral Mo(II) Iodide Cluster
Authors of publication	Volostnykh, Marina V.; Kirakosyan, Gayane; Sinelshchikova, Anna A.; Loboda, Polina; Dorovatovskii, Pavel; Maxim, Mihailov; Tsivadze, Aslan Yu; Sokolov, Maksim Nailyevich; Gorbunova, Yulia G.
Journal of publication	Dalton Transactions
Year of publication	2023
a	21.6281 ± 0.0011 Å
b	9.4437 ± 0.0004 Å
c	19.2876 ± 0.0009 Å
α	90°
β	114.108 ± 0.001°
γ	90°
Cell volume	3595.9 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
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	0.0616
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281899 (current)	2023-03-16	cif/ Adding structures of 7712634, 7712635, 7712636, 7712637 via cif-deposit CGI script.	7712634.cif