Crystallography Open Database

Information card for entry 4334432

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Structure parameters

Formula	C50 H50 F24 N8 P4
Calculated formula	C50 H50 F24 N8 P4
SMILES	C(c1c(cc(C[n+]2ccn(c2)Cc2ccccc2)c(c1)Cn1c[n+](cc1)Cc1ccccc1)Cn1c[n+](cc1)Cc1ccccc1)[n+]1ccn(c1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage
Authors of publication	B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4269 - 4276
a	7.3835 ± 0.0011 Å
b	30.819 ± 0.005 Å
c	12.4726 ± 0.0018 Å
α	90°
β	91.07 ± 0.004°
γ	90°
Cell volume	2837.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1118
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2356
Weighted residual factors for all reflections included in the refinement	0.2628
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334432.cif
179447	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 4/33/44.	4334432.cif
100259	2014-02-04	cif/ Adding structures of 4334432 via cif-deposit CGI script.	4334432.cif