Crystallography Open Database

Information card for entry 7217788

Preview

Coordinates	7217788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H138 Au8 N2 O12 P8
Calculated formula	C130 H138 Au8 N2 O12 P8
SMILES	CO.CO.CO.[P]1([Au]2([Au]345[P](c6ccccc6)(c6ccccc6)CCC[P]([Au]678[Au]9%103([P](c3ccccc3)(CCC1)c1ccccc1)[Au]124[P](c2ccccc2)(c2ccccc2)CCC[P]([Au]279[Au]6([P](c3ccccc3)(c3ccccc3)CCC[P]([Au]58%1012)(c1ccccc1)c1ccccc1)C#Cc1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].CO.CO.CO.N(=O)(=O)[O-]
Title of publication	An unprecedented (3, 6)-connected net featuring tcj-3,6-P21/c topology
Authors of publication	Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Feng, Xue-feng; Luo, Feng
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	68
Pages of publication	36282
a	31.2188 ± 0.0014 Å
b	17.1001 ± 0.0007 Å
c	23.3745 ± 0.001 Å
α	90°
β	90.371 ± 0.001°
γ	90°
Cell volume	12478.1 ± 0.9 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
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	0.0459
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
180508 (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 7/21/77.	7217788.cif
122269	2014-08-20	cif/ Adding structures of 7217788 via cif-deposit CGI script.	7217788.cif