Crystallography Open Database

Information card for entry 4001022

Preview

Coordinates	4001022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 N4 Pt
Calculated formula	C10 H14 N4 Pt
SMILES	N#C[Pt](C#[N]C(C)C)(C#[N]C(C)C)C#N
Title of publication	A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene
Authors of publication	Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	14
Pages of publication	3117
a	9.5109 ± 0.0017 Å
b	21.228 ± 0.004 Å
c	6.4158 ± 0.0012 Å
α	90°
β	96.675 ± 0.003°
γ	90°
Cell volume	1286.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4001022.html