Crystallography Open Database

Information card for entry 4328469

Preview

Coordinates	4328469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H158 Cl18 N16 Ti2
Calculated formula	C135 H158 Cl18 N16 Ti2
Title of publication	Axial Functionalization of Sterically Hindered Titanium Phthalocyanines
Authors of publication	Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2709 - 2717
a	28.953 ± 0.004 Å
b	28.953 ± 0.004 Å
c	28.953 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	24271 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.1472
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	0.715
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328469.cif
171492	2015-12-14	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries.	4328469.cif
77435	2013-03-26	cif/ Adding structures of 4328469 via cif-deposit CGI script.	4328469.cif