Crystallography Open Database

Information card for entry 7712636

Preview

Coordinates	7712636.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CP6
Formula	C246 H168 I8 Mo6 N30 O18 Ru6
Calculated formula	C246 H168 I8 Mo6 N30 O18 Ru6
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	27.408 ± 0.006 Å
b	27.031 ± 0.005 Å
c	22.388 ± 0.005 Å
α	90°
β	108.56 ± 0.03°
γ	90°
Cell volume	15724 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1813
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.745 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	7712636.cif