Crystallography Open Database

Information card for entry 8104644

Preview

Coordinates	8104644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H30 Cl N3 O6 Ti
Calculated formula	C33.5 H30 Cl N3 O6 Ti
Title of publication	The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C33H29N3O6Ti
Authors of publication	Zhao, Tiankun; Wang, Peng; Ji, Mingyu; Li, Shanjia; Yang, Mingjun; Pu, Xiuying
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	985 - 987
a	27.4022 ± 0.0015 Å
b	14.0345 ± 0.0007 Å
c	17.0047 ± 0.001 Å
α	90°
β	116.009 ± 0.003°
γ	90°
Cell volume	5877.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273472 (current)	2022-03-07	cif/ Adding structures of 8104644 via cif-deposit CGI script.	8104644.cif