Crystallography Open Database

Information card for entry 8104699

Preview

Coordinates	8104699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N2 Na O4
Calculated formula	C24 H23 N2 Na O4
Title of publication	Crystal structure of poly[(m3-3-carboxyadamantane-1-carboxylato-κ3 O:O′:O″)-(phenanthroline-κ2 N,N′)sodium(II)], C24H23N2NaO4
Authors of publication	Li-Hua, Wang; Li-Li, Liu; Shu-Hua, Cao; Xi-Shi, Tai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	745 - 747
a	7.5246 ± 0.0005 Å
b	22.554 ± 0.002 Å
c	11.3358 ± 0.0009 Å
α	90°
β	91.881 ± 0.007°
γ	90°
Cell volume	1922.8 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.072
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
273560 (current)	2022-03-09	cif/ Adding structures of 8104699 via cif-deposit CGI script.	8104699.cif