Crystallography Open Database

Information card for entry 1544782

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Structure parameters

Formula	C30 H30 N4 O2 S2 Zn
Calculated formula	C30 H30 N4 O2 S2 Zn
Title of publication	Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes
Authors of publication	Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.
Journal of publication	IUCrJ
Year of publication	2017
Journal volume	4
Journal issue	1
a	36.662 ± 0.003 Å
b	37.055 ± 0.004 Å
c	5.1092 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6940.9 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2644
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1544782.cif
189498	2016-12-29	cif/1/54/47/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entry 1544782.	1544782.cif
189133	2016-12-15	cif/ Adding structures of 1544782, 1544783, 1544784, 1544785 via cif-deposit CGI script.	1544782.cif