Crystallography Open Database

Information card for entry 7127299

Preview

Coordinates	7127299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 N3 O2 Pt
Calculated formula	C19 H13 N3 O2 Pt
SMILES	[Pt]12(c3ccccc3c3[n]1c1c([nH]3)cccc1)OC(=O)c1[n]2cccc1
Title of publication	A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.
Authors of publication	Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	85
Pages of publication	12969 - 12972
a	11.0034 ± 0.0001 Å
b	12.6502 ± 0.0001 Å
c	23.9841 ± 0.0002 Å
α	90°
β	98.435 ± 0.001°
γ	90°
Cell volume	3302.36 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0269
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260677 (current)	2021-01-07	cif/ Updating files of 7127299, 7127300, 7127301, 7127302, 7127303 Original log message: Adding full bibliography for 7127299--7127303.cif.	7127299.cif
256601	2020-09-22	cif/ Adding structures of 7127299, 7127300, 7127301, 7127302, 7127303 via cif-deposit CGI script.	7127299.cif