Crystallography Open Database

Information card for entry 7214926

Preview

Coordinates	7214926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H80 N10 O11 Pt2 S4 Zn2
Calculated formula	C60 H64 N10 O11 Pt2 S4 Zn2
Title of publication	Toward heteronuclear supramolecular architectures of pyridine-4-thiolate
Authors of publication	Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8228
a	27.54 ± 0.003 Å
b	19.1614 ± 0.0017 Å
c	16.0561 ± 0.0015 Å
α	90°
β	119.272 ± 0.001°
γ	90°
Cell volume	7391 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180480 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49.	7214926.cif
110997	2014-04-20	cif/ Adding structures of 7214923, 7214924, 7214925, 7214926, 7214927 via cif-deposit CGI script.	7214926.cif