Crystallography Open Database

Information card for entry 7211900

7211899 << 7211900 >> 7211901

Preview

Coordinates	7211900.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)C/N=C(\O)/C(=N/Cc3ccc[n]([Zn]45([S]=C(N(CCO)C)S4)[S]=C(N(CCO)C)S5)c3)O)(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	9.7471 ± 0.0014 Å
b	16.151 ± 0.002 Å
c	13.21 ± 0.002 Å
α	90°
β	94.743 ± 0.002°
γ	90°
Cell volume	2072.5 ± 0.5 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 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	0.048
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7211900.cif
92476	2014-01-12	cif/ Adding structures of 7211899, 7211900 via cif-deposit CGI script.	7211900.cif