Crystallography Open Database

Information card for entry 4331489

Preview

Coordinates	4331489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H116 Cu2 F12 N8 P4 Pt
Calculated formula	C114 H110 Cu2 F12 N8 P4 Pt
SMILES	[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.[Pt](C#Cc1c([n]2c3c4[n](c(ccc4ccc3c1)c1c(cc(cc1C)C)C)[Cu]12[n]2cccc3ccc4ccc[n]1c4c23)c1c(cc(cc1C)C)C)(C#Cc1c([n]2c3c4[n](c(ccc4ccc3c1)c1c(cc(cc1C)C)C)[Cu]12[n]2cccc3ccc4ccc[n]1c4c23)c1c(cc(cc1C)C)C)([P](CC)(CC)CC)[P](CC)(CC)CC.[P](F)(F)(F)(F)(F)[F-].Cc1ccccc1
Title of publication	Metal-Driven and Covalent Synthesis of Supramolecular Grids from Racks: A Convergent Approach to Heterometallic and Heteroleptic Nanostructures
Authors of publication	Schmittel, Michael; Kalsani, Venkateshwarlu; Bats, Jan W.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4115 - 4117
a	12.893 ± 0.003 Å
b	13.701 ± 0.003 Å
c	16.224 ± 0.003 Å
α	76.032 ± 0.017°
β	80.039 ± 0.017°
γ	73.553 ± 0.017°
Cell volume	2650.5 ± 1 Å³
Cell temperature	156 ± 2 K
Ambient diffraction temperature	156 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
179417 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14.	4331489.cif
97650	2014-01-29	cif/ Adding structures of 4331489 via cif-deposit CGI script.	4331489.cif