Crystallography Open Database

Information card for entry 7044779

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Structure parameters

Formula	C76 H80 Cl6 N12 O2.5 P3 Pt3
Calculated formula	C76 H80 Cl6 N12 O2.5 P3 Pt3
Title of publication	Preparation and characterization of terdentate [C,N,N] acetophenone and acetylpyridine hydrazone platinacycles. A DFT insight into the reaction mechanism
Authors of publication	Marcos, Ismael; Ojea, Vicente; Vazquez-Garcia, Digna; Fernández Sánchez, Jesús José; Fernández, Alberto; Lopez-Torres, Margarita; Lado, Jorge; VILA, JOSE M
Journal of publication	Dalton Transactions
Year of publication	2017
a	19.819 ± 0.005 Å
b	15.689 ± 0.005 Å
c	29.119 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9054 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7044779.cif
203210	2017-11-15	cif/ Adding structures of 7044778, 7044779 via cif-deposit CGI script.	7044779.cif