Crystallography Open Database

Information card for entry 8107471

Preview

Coordinates	8107471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 N9 O10 Pr
Calculated formula	C27 H26 N9 O10 Pr
Title of publication	Crystal structure of catena-poly[triaqua-[bis(m2-4-(1H-1,2,4-triazol-1-yl)benzoato-k2O:O')-(4-(1H-1,2,4-triazol-1-yl)benzoato-k1O)-praseodymium (III) monohydrate], C27H26N9O10Pr
Authors of publication	Liu, Li; Guo, Huan-Mei; Liu, Li-Li; Qian, Xin-Ru
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	3
Pages of publication	471 - 473
a	13.228 ± 0.0012 Å
b	5.5628 ± 0.0005 Å
c	41.14 ± 0.003 Å
α	90°
β	105.109 ± 0.002°
γ	90°
Cell volume	2922.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0607
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
285173 (current)	2023-07-12	cif/ Adding structures of 8107471 via cif-deposit CGI script.	8107471.cif