Crystallography Open Database

Information card for entry 7121770

Preview

Coordinates	7121770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H187 Cu7 N30 O96 P4
Calculated formula	C108 H95 Cu7 N28 O48 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	15.3831 ± 0.0008 Å
b	35.7449 ± 0.0018 Å
c	16.8107 ± 0.0008 Å
α	90°
β	94.964 ± 0.003°
γ	90°
Cell volume	9209 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0923
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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.	7121770.cif
208028	2018-05-30	cif/ Adding structures of 7121770, 7121771 via cif-deposit CGI script.	7121770.cif