Crystallography Open Database

Information card for entry 4301000

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Coordinates	4301000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H138 P2 Pt
Calculated formula	C102 H138 P4 Pt2
Title of publication	A Platinum Acetylide Polymer with Sterically Demanding Substituents: Effect of Aggregation on the Triplet Excited State
Authors of publication	Zhao, Xiaoming; Cardolaccia, Thomas; Farley, Richard T.; Abboud, Khalil A.; Schanze, Kirk S.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2619 - 2627
a	35.608 ± 0.002 Å
b	13.7399 ± 0.0008 Å
c	23.5629 ± 0.0014 Å
α	90°
β	124.806 ± 0.002°
γ	90°
Cell volume	9465.6 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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