Crystallography Open Database

Information card for entry 7021136

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Structure parameters

Formula	C34 H38 F24 N10 P4
Calculated formula	C34 H38 F24 N10 P4
SMILES	c1n2cc[n+]1Cn1c[n+](cc1)Cc1ccccc1Cn1c[n+](cc1)Cn1c[n+](cc1)Cc1ccccc1C2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
Title of publication	Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.
Authors of publication	Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	20
Pages of publication	7330 - 7337
a	13.1901 ± 0.0005 Å
b	8.9195 ± 0.0003 Å
c	19.5264 ± 0.0005 Å
α	90°
β	96.171 ± 0.002°
γ	90°
Cell volume	2283.95 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0558
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7021136.cif
179916	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/11.	7021136.cif
86041	2013-05-09	cif/ Adding structures of 7021135, 7021136, 7021137, 7021138, 7021139, 7021140 via cif-deposit CGI script.	7021136.cif