Crystallography Open Database

Information card for entry 4339703

Preview

Coordinates	4339703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H94 B2 Mo2 N14 O2 Pt S4
Calculated formula	C82 H94 B2 Mo2 N14 O2 Pt S4
SMILES	Cc1ccccc1.c1c(cccc1)C.[Pt]12(SC3=C(S1)[Mo]143(C#[O])(C#[N]c3c(cccc3C)C)[n]3n([BH](n5[n]1c(C)cc5C)n1[n]4c(C)cc1C)c(cc3C)C)SC1=C(S2)[Mo]231(C#[O])(C#[N]c1c(cccc1C)C)[n]1n([BH](n4[n]2c(C)cc4C)n2[n]3c(C)cc2C)c(cc1C)C.Cc1ccccc1.c1c(cccc1)C
Title of publication	On the prospects of polynuclear complexes with acetylenedithiolate bridging units.
Authors of publication	Seidel, Wolfram W.; Meel, Matthias J.; Radius, Udo; Schaffrath, Markus; Pape, Tania
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9616 - 9629
a	11.2664 ± 0.0015 Å
b	13.7944 ± 0.0018 Å
c	14.5269 ± 0.0019 Å
α	98.657 ± 0.003°
β	99.151 ± 0.003°
γ	108.727 ± 0.002°
Cell volume	2061.3 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339703.cif
117488	2014-06-15	cif/ Adding structures of 4339703 via cif-deposit CGI script.	4339703.cif