Crystallography Open Database

Information card for entry 7021947

7021946 << 7021947 >> 7021948

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Structure parameters

Formula	C73 H80 N2 O3 Pt
Calculated formula	C73 H80 N2 O3 Pt
SMILES	[Pt]12([N](=C3C(=[N]2c2cc(cc(c2)c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c2cccc4cccc3c24)c2cc(cc(c2)c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)OC(=O)O1
Title of publication	Reversible insertion of carbon dioxide into Pt(ii)-hydroxo bonds.
Authors of publication	Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14742 - 14748
a	12.8521 ± 0.0002 Å
b	17.3118 ± 0.0003 Å
c	18.6475 ± 0.0002 Å
α	85.2139 ± 0.0008°
β	78.437 ± 0.0008°
γ	78.0342 ± 0.0007°
Cell volume	3972.62 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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