Crystallography Open Database

Information card for entry 4341673

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Structure parameters

Formula	C36 H68 Ag2 N2 P4
Calculated formula	C36 H68 Ag2 N2 P4
SMILES	[Ag]123n4c(C[P]([Ag]51n1c(C[P]5(C(C)C)C(C)C)ccc1C[P]3(C(C)C)C(C)C)(C(C)C)C(C)C)ccc4C[P]2(C(C)C)C(C)C
Title of publication	Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.
Authors of publication	Kessler, Julie A.; Iluc, Vlad M.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141111134546005
a	11.6741 ± 0.0008 Å
b	12.4087 ± 0.0008 Å
c	28.6835 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4155.1 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341673.cif
179519	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16.	4341673.cif
127402	2014-11-16	cif/ Adding structures of 4341667, 4341668, 4341669, 4341670, 4341671, 4341672, 4341673 via cif-deposit CGI script.	4341673.cif