Crystallography Open Database

Information card for entry 4334433

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Structure parameters

Formula	C30 H42 F24 N8 P4
Calculated formula	C30 H42 F24 N8 P4
SMILES	CCn1cc[n+](c1)Cc1c(C[n+]2ccn(c2)CC)cc(Cn2cc[n+](CC)c2)c(C[n+]2ccn(c2)CC)c1.[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	10.2619 ± 0.0006 Å
b	9.1305 ± 0.0006 Å
c	23.0678 ± 0.0014 Å
α	90°
β	91.592 ± 0.002°
γ	90°
Cell volume	2160.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4334433.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.	4334433.cif
100260	2014-02-04	cif/ Adding structures of 4334433 via cif-deposit CGI script.	4334433.cif