Crystallography Open Database

Information card for entry 7001215

Preview

Coordinates	7001215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Br N3 O Pt
Calculated formula	C32 H46 Br N3 O Pt
SMILES	[Pt]1(Br)(C)(C)([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)Cc1ccc(cc1)C(=O)NC(C)(C)C
Title of publication	Supramolecular organoplatinum(iv) chemistry: a nanotube structure supported by hydrogen bonds
Authors of publication	Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	18
Pages of publication	3519 - 3525
a	20.983 ± 0.0008 Å
b	14.4635 ± 0.0005 Å
c	10.5574 ± 0.0005 Å
α	90°
β	92.691 ± 0.002°
γ	90°
Cell volume	3200.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179709 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/12.	7001215.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001215.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001215.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001215.cif