Crystallography Open Database

Information card for entry 7038605

Preview

Coordinates	7038605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H74 O4 P4 Pt6
Calculated formula	C40 H74 O4 P4 Pt6
SMILES	[P]1(C(C)(C)C)(C(C)(C)C)[Pt]23(C#C)[Pt]451(C#[O])[Pt]13([P]2(C(C)(C)C)C(C)(C)C)(C#[O])[Pt]234([P](C(C)(C)C)(C(C)(C)C)[Pt]42([P](C(C)(C)C)(C(C)(C)C)[Pt]5134C#[O])C#C)C#[O]
Title of publication	Synthesis and characterization of non-bridging mono- and bis-σ-η(1)-alkynyl derivatives of the phosphido-bridged hexaplatinum core [Pt6(μ-PBu(t)2)4(CO)4](2.).
Authors of publication	Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Pasquali, Marco
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	16
Pages of publication	6878 - 6892
a	17.3664 ± 0.0002 Å
b	17.3664 ± 0.0002 Å
c	17.6625 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5326.87 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.0323
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
182731 (current)	2016-05-06	cif/ Updating files of 7038605, 7038606 Original log message: Adding full bibliography for 7038605--7038606.cif.	7038605.cif
177032	2016-02-27	cif/ Adding structures of 7038605, 7038606 via cif-deposit CGI script.	7038605.cif