Crystallography Open Database

Information card for entry 4346668

Preview

Coordinates	4346668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H71 Cl4 N10 Na O6 Rh Sn
Calculated formula	C66 H71 Cl4 N10 Na O6 Rh Sn
SMILES	c12=Nc3c4c(c5n3[Sn]36([n]2c(c2c1cccc2)N=c1c2c(c(=Nc7c8c(c(=N5)[n]67)cccc8)n31)cccc2)[Rh]1235([c]6([c]5([c]3([c]2([c]16C)C)C)C)C)(Cl)Cl)cccc4.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[Na]2356781.Clc1c(Cl)cccc1
Title of publication	Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.
Authors of publication	Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1390 - 1402
a	13.0896 ± 0.0001 Å
b	26.0217 ± 0.0003 Å
c	18.9023 ± 0.0002 Å
α	90°
β	95.741 ± 0.001°
γ	90°
Cell volume	6406.09 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
231912 (current)	2019-11-23	cif/ Adding structures of 4346663, 4346664, 4346665, 4346666, 4346667, 4346668, 4346669 via cif-deposit CGI script.	4346668.cif