Crystallography Open Database

Information card for entry 4335767

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Structure parameters

Formula	C76 H64 N4 P6 Pt2
Calculated formula	C76 H64 N4 P6 Pt2
SMILES	c1(ccccc1)[P]1(c2ccccc2)[Pt]234[P]56N(CCN5c5c([P](c7ccccc7)([Pt]746[P]42N(CCN4c2c([P]3(c3ccccc3)c3ccccc3)cccc2)c2c([P]7(c3ccccc3)c3ccccc3)cccc2)c2ccccc2)cccc5)c2c1cccc2
Title of publication	Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation
Authors of publication	Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9583 - 9589
a	16.6096 ± 0.0004 Å
b	16.6096 ± 0.0004 Å
c	25.8471 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7130.7 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0154
Weighted residual factors for all reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0329
Weighted residual factors for all reflections included in the refinement	0.0342
Goodness-of-fit parameter for all reflections included in the refinement	0.9722
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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