Crystallography Open Database

Information card for entry 4514457

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Coordinates	4514457.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Rac)-AlaNDI-Cd
Formula	C107 H111 Cd4 N17 O41
Calculated formula	C107 H111 Cd4 N17 O41
Title of publication	Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.
Authors of publication	Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	22
Pages of publication	20174 - 20182
a	14.1619 ± 0.0004 Å
b	16.7951 ± 0.0005 Å
c	23.6544 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5626.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 2 21 21
Hall space group symbol	P 2bc 2
Residual factor for all reflections	0.1587
Residual factor for significantly intense reflections	0.1158
Weighted residual factors for significantly intense reflections	0.2272
Weighted residual factors for all reflections included in the refinement	0.2519
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219646 (current)	2019-10-28	cif/ Adding structures of 4514457 via cif-deposit CGI script.	4514457.cif