Crystallography Open Database

Information card for entry 7709203

Preview

Coordinates	7709203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H52 N10 Na O17 Ru3 Sn
Calculated formula	C61 H52 N10 Na O17 Ru3 Sn
SMILES	[Sn]123([Ru]4([Ru]([Ru]4(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[n]4c5=Nc6n3c(N=c3[n]2c(N=c2n1c(=Nc4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61.[Na]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
Title of publication	Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties
Authors of publication	Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.3563 ± 0.0008 Å
b	14.6148 ± 0.0007 Å
c	25.198 ± 0.0012 Å
α	90°
β	96.146 ± 0.001°
γ	90°
Cell volume	6355 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation probe	x-ray
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
271648 (current)	2021-12-30	cif/ Adding structures of 7709200, 7709201, 7709202, 7709203, 7709204, 7709205 via cif-deposit CGI script.	7709203.cif