Crystallography Open Database

Information card for entry 2018607

2018606 << 2018607 >> 2018608

Preview

Coordinates	2018607.cif
Structure factors	2018607.hkl
Original IUCr paper	HTML

Structure parameters

Common name	trans-[PtCl{E-HN=C(Me)OMe}~2~(PPh~3~)]Cl
Chemical name	<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane- κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate
Formula	C24 H31 Cl2 N2 O3 P Pt
Calculated formula	C24 H31 Cl2 N2 O3 P Pt
SMILES	[Pt](Cl)([NH]=C(C)OC)([NH]=C(C)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O
Title of publication	<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate
Authors of publication	Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m300 - m302
a	10.7361 ± 0.0002 Å
b	17.1215 ± 0.0002 Å
c	15.6226 ± 0.0002 Å
α	90°
β	108.009 ± 0.0008°
γ	90°
Cell volume	2731.03 ± 0.07 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
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	0.0695
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180855 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86.	2018607.cif 2018607.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018607.cif 2018607.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018607.cif 2018607.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018607.cif 2018607.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2018607.cif 2018607.hkl
69727	2012-12-21	cif/ Adding structures of 2018607 via cif-deposit CGI script.	2018607.cif