Crystallography Open Database

Information card for entry 4334436

Preview

Coordinates	4334436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Ag4 F24 N16 P4
Calculated formula	C60 H76 Ag4 F24 N16 P4
SMILES	C12N(C=CN1CC)Cc1cc3c4CN5C(N(CC)C=C5)=[Ag]=C5N(C=CN5CC)Cc5c(CN6C(N(CC)C=C6)=[Ag]=C6N(C=CN6CC)C3)cc(c(CN3C(N(CC)C=C3)=[Ag]=C3N(C=CN3CC)Cc1c4)c5)CN1C(=[Ag]=2)N(CC)C=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	18.3487 ± 0.0018 Å
b	18.3487 ± 0.0018 Å
c	13.031 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4387.2 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179447 (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 4/33/44.	4334436.cif
100263	2014-02-04	cif/ Adding structures of 4334436 via cif-deposit CGI script.	4334436.cif