Crystallography Open Database

Information card for entry 2022128

2022127 << 2022128 >> 2022129

Preview

Coordinates	2022128.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[triaquacadmium(II)]-μ-10-(4-carboxyphenyl)-4,4'-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6-diyl)dibenzoato]
Formula	C48 H43 Cd N O9
Calculated formula	C48 H43 Cd N O9
Title of publication	Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand
Authors of publication	Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	6
a	10.557 ± 0.0004 Å
b	11.7711 ± 0.0005 Å
c	20.7242 ± 0.0009 Å
α	89.106 ± 0.003°
β	87.402 ± 0.003°
γ	66.982 ± 0.004°
Cell volume	2367.86 ± 0.18 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252311 (current)	2020-05-23	cif/ hkl/ Adding structures of 2022127, 2022128, 2022129 via cif-deposit CGI script.	2022128.cif