Crystallography Open Database

Information card for entry 7023649

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Coordinates	7023649.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PtOH2
Formula	C27 H25 Cl N O P Pt
Calculated formula	C27 H25 Cl N O P Pt
SMILES	[Pt]1(c2c(C=[N]1CCO)cccc2)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Metal array fabrication based on ultrasound-induced self-assembly of metalated dipeptides.
Authors of publication	Isozaki, Katsuhiro; Haga, Yusuke; Ogata, Kazuki; Naota, Takeshi; Takaya, Hikaru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	45
Pages of publication	15953 - 15966
a	27.878 ± 0.005 Å
b	17.866 ± 0.003 Å
c	9.5315 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4747.3 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.6998 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179941 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023649.cif
90595	2013-11-18	cif/ Adding structures of 7023648, 7023649 via cif-deposit CGI script.	7023649.cif