Crystallography Open Database

Information card for entry 1565124

Preview

Coordinates	1565124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H82 Cl2 N38 O16 Pt2
Calculated formula	C92 H82 Cl2 N38 O16 Pt2
SMILES	O=C1N2C3C4N1CN1C(=O)N5C6C1N1CN4C(=O)N3CN3C4N(C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN%12C(=O)N%13CN%14C(=O)N%15CN%16C(=O)N(C5)C5C%16N(C(=O)N5CN6C1=O)CN1C%15C%14N(C1=O)CN1C%13C%12N(C1=O)CN1C%11C%10N(C1=O)CN1C9C8N(C1=O)CN(C47)C3=O)C2.[Pt]12(Cl)[n]3ccccc3c3cc(cc(c4cccc[n]24)[n]13)c1ccc(cc1)C.[Pt]12(Cl)[n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1ccc(cc1)C
Title of publication	Enhanced photoreduction of water catalyzed by a cucurbit[8]uril-secured platinum dimer
Authors of publication	Masson, Eric; Rabbani, Ramin; Saeedi, Sima; Nazimuddin, Md; Barbero, Hector; Kyritsakas, Nathalie; White, Travis A.
Journal of publication	Chemical Science
Year of publication	2021
a	17.9543 ± 0.0013 Å
b	20.7821 ± 0.0016 Å
c	33.976 ± 0.003 Å
α	89.44°
β	82.949 ± 0.004°
γ	89.97°
Cell volume	12580.9 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1145
Residual factor for significantly intense reflections	0.1011
Weighted residual factors for significantly intense reflections	0.2486
Weighted residual factors for all reflections included in the refinement	0.2554
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
270309 (current)	2021-11-05	cif/ Adding structures of 1565124 via cif-deposit CGI script.	1565124.cif