Crystallography Open Database

Information card for entry 7709205

Preview

Coordinates	7709205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H50 Cl2 Cr N8 O11 Ru3 Sn
Calculated formula	C69 H50 Cl2 Cr N8 O11 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])n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61.[Cr]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.Clc1c(Cl)cccc1
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	16.7801 ± 0.0001 Å
b	20.0593 ± 0.0001 Å
c	19.7671 ± 0.0001 Å
α	90°
β	94.872 ± 0.001°
γ	90°
Cell volume	6629.51 ± 0.06 Å³
Cell temperature	119.95 ± 0.1 K
Ambient diffraction temperature	119.95 ± 0.1 K
Number of distinct elements	8
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	0.0409
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7709205.cif