Crystallography Open Database

Information card for entry 4515872

Preview

Coordinates	4515872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H50 B Br N4 O4 Pt
Calculated formula	C37 H50 B Br N4 O4 Pt
SMILES	[Pt]1(Br)([n]2ccccc2c2[n]1nc(c1c2CCCCCC1)c1ncccc1)(C)(C)Cc1c(cccc1)B(O)O.O1CCCC1.O1CCCC1
Title of publication	Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.
Authors of publication	McCready, Matthew S.; Puddephatt, Richard J.
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	10
Pages of publication	13621 - 13629
a	9.8253 ± 0.0003 Å
b	9.9194 ± 0.0003 Å
c	19.4252 ± 0.0006 Å
α	103.365 ± 0.002°
β	95.89 ± 0.002°
γ	99.558 ± 0.002°
Cell volume	1796.64 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
225964 (current)	2019-11-10	cif/ Adding structures of 4515866, 4515867, 4515868, 4515869, 4515870, 4515871, 4515872 via cif-deposit CGI script.	4515872.cif