Crystallography Open Database

Information card for entry 7035520

Preview

Coordinates	7035520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H110 Cd2 N8 O15 Ti2
Calculated formula	C86 H110 Cd2 N8 O15 Ti2
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	13.9325 ± 0.0012 Å
b	26.873 ± 0.002 Å
c	27.147 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	10164.1 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153190 (current)	2015-08-08	cif/ Updating files of 7035520, 7035521 Original log message: Adding full bibliography for 7035520--7035521.cif.	7035520.cif
139618	2015-06-25	cif/ Adding structures of 7035520, 7035521 via cif-deposit CGI script.	7035520.cif