Crystallography Open Database

Information card for entry 7035521

Preview

Coordinates	7035521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H52 Br Cd N4 O5.5 Ti
Calculated formula	C41 H52 Br Cd N4 O5.5 Ti
Title of publication	Chiral porous metal-organic frameworks containing μ-oxo-bis[Ti(salan)] units for asymmetric cyanation of aldehydes.
Authors of publication	Du, Xia; Li, Zijian; Liu, Yan; Yang, Shiping; Cui, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	29
Pages of publication	12999 - 13002
a	26.8901 ± 0.0002 Å
b	26.8901 ± 0.0002 Å
c	13.2591 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9587.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1965
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7035521.cif
153190	2015-08-08	cif/ Updating files of 7035520, 7035521 Original log message: Adding full bibliography for 7035520--7035521.cif.	7035521.cif
139618	2015-06-25	cif/ Adding structures of 7035520, 7035521 via cif-deposit CGI script.	7035521.cif