Crystallography Open Database

Information card for entry 7121771

Preview

Coordinates	7121771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H172 Cu7 N31 O89 P4
Calculated formula	C112 H95 Cu7 N28 O49 P4
Title of publication	Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.
Authors of publication	Bruno, Rosaria; Marino, Nadia; Bartella, Lucia; Di Donna, Leonardo; De Munno, Giovanni; Pardo, Emilio; Armentano, Donatella
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	49
Pages of publication	6356 - 6359
a	15.2378 ± 0.0011 Å
b	35.525 ± 0.003 Å
c	16.7521 ± 0.0012 Å
α	90°
β	95.389 ± 0.003°
γ	90°
Cell volume	9028.2 ± 1.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
228500 (current)	2019-11-17	cif/ Updating files of 7121770, 7121771 Original log message: Adding full bibliography for 7121770--7121771.cif.	7121771.cif
208028	2018-05-30	cif/ Adding structures of 7121770, 7121771 via cif-deposit CGI script.	7121771.cif