Crystallography Open Database

Information card for entry 2020591

2020590 << 2020591 >> 2020592

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Structure parameters

Chemical name	(Acetonitrile-κ<i>N</i>)(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)\ carbonyl]methoxy}phenyl-κ<i>C</i>^1^)chloridoplatinum(II) monohydrate
Formula	C17 H24 Cl N O5 Pt
Calculated formula	C17 H24 Cl N O5 Pt
SMILES	[Pt]12(Cl)([N]#CC)c3cc(OCC(=O)OC(C)C)c(OC)cc3C[CH]1=[CH2]2.O
Title of publication	Crystallization experiments with the dinuclear chelate ring complex di-μ-chlorido-bis[(η^2^-2-allyl-4-methoxy-5-{[(propan-2-yloxy)carbonyl]methoxy}phenyl-κ<i>C</i>^1^)platinum(II)]
Authors of publication	Nguyen Thi Thanh, Chi; Pham Van, Thong; Le Thi Hong, Hai; Van Meervelt, Luc
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	10
Pages of publication	758 - 764
a	8.3747 ± 0.0004 Å
b	10.5732 ± 0.0005 Å
c	11.0883 ± 0.0004 Å
α	76.67 ± 0.004°
β	89.496 ± 0.003°
γ	82.641 ± 0.004°
Cell volume	947.3 ± 0.07 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
186846 (current)	2016-09-30	cif/ hkl/ Adding structures of 2020591, 2020592, 2020593 via cif-deposit CGI script.	2020591.cif 2020591.hkl