Crystallography Open Database

Information card for entry 7701222

Preview

Coordinates	7701222.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide 2-chloroform solvate
Formula	C40 H33 Cl6 O9 P
Calculated formula	C40.0003 H33.0003 Cl6.0009 O9 P
Title of publication	A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.
Authors of publication	Stein, Timo; Hoffmann, Frank; Fröba, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	40
Pages of publication	15127 - 15135
a	10.2413 ± 0.0001 Å
b	22.4781 ± 0.0003 Å
c	17.7231 ± 0.0002 Å
α	90°
β	94.459 ± 0.001°
γ	90°
Cell volume	4067.6 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
224262 (current)	2019-11-08	cif/ Updating files of 7701221, 7701222, 7701223, 7701224, 7701225, 7701226, 7701227, 7701228, 7701229, 7701230, 7701231, 7701232 Original log message: Adding full bibliography for 7701221--7701232.cif.	7701222.cif
218840	2019-09-25	cif/ Adding structures of 7701221, 7701222, 7701223, 7701224, 7701225, 7701226, 7701227, 7701228, 7701229, 7701230, 7701231, 7701232 via cif-deposit CGI script.	7701222.cif