Crystallography Open Database

Information card for entry 7211899

7211898 << 7211899 >> 7211900

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Coordinates	7211899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 N8 O6 S8 Zn2
Calculated formula	C30 H46 N8 O6 S8 Zn2
SMILES	C1(N(CCO)C)=[S][Zn]2([n]3cccc(c3)CNC(=O)C(=O)NCc3ccc[n]([Zn]45([S]=C(N(CCO)C)S4)[S]=C(N(CCO)C)S5)c3)(S1)[S]=C(N(CCO)C)S2
Title of publication	Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand
Authors of publication	Poplaukhin, Pavel; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1302
a	8.46 ± 0.004 Å
b	9.438 ± 0.004 Å
c	13.305 ± 0.005 Å
α	82.811 ± 0.017°
β	78.712 ± 0.013°
γ	89.077 ± 0.017°
Cell volume	1033.6 ± 0.8 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7211899.cif
92476	2014-01-12	cif/ Adding structures of 7211899, 7211900 via cif-deposit CGI script.	7211899.cif