Crystallography Open Database

Information card for entry 7709201

Preview

Coordinates	7709201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H16 Co4 N8 O11 Sn
Calculated formula	C43 H16 Co4 N8 O11 Sn
SMILES	[Sn]123(n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1c2cccc1)c1c3cccc1)c1c6cccc1)[Co]1234([Co]5([Co]61([Co]25(C3=O)(C6=O)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])(C#[O])C#[O])C#[O]
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	12.9161 ± 0.0001 Å
b	30.5606 ± 0.0003 Å
c	10.9495 ± 0.0001 Å
α	90°
β	107.391 ± 0.001°
γ	90°
Cell volume	4124.46 ± 0.07 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7709201.cif