Crystallography Open Database

Information card for entry 7701788

Preview

Coordinates	7701788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H55 Cd2 Cl3 N8 O17
Calculated formula	C50 H55 Cd2 Cl3 N8 O17
Title of publication	Methoxy-substituted tetrakisquinoline analogs of EGTA and BAPTA for fluorescence detection of Cd<sup>2+</sup> .
Authors of publication	Mikata, Yuji; Kaneda, Minori; Konno, Hideo; Matsumoto, Arimasa; Sato, Shin-Ichiro; Kawamura, Masaya; Iwatsuki, Satoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	3840 - 3852
a	22.6992 ± 0.0005 Å
b	11.2984 ± 0.0001 Å
c	23.96 ± 0.0005 Å
α	90°
β	114.704 ± 0.0009°
γ	90°
Cell volume	5582.51 ± 0.18 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
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	0.042
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223359 (current)	2019-11-05	cif/ Adding structures of 7701784, 7701785, 7701786, 7701787, 7701788, 7701789, 7701790, 7701791, 7701792, 7701793 via cif-deposit CGI script.	7701788.cif