Crystallography Open Database

Information card for entry 7126822

Preview

Coordinates	7126822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H180 Mo12 N12 O48
Calculated formula	C288 H160 Mo12 N12 O48
Title of publication	Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.
Authors of publication	Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	65
Pages of publication	9352 - 9355
a	19.686 ± 0.003 Å
b	27.191 ± 0.003 Å
c	39.897 ± 0.005 Å
α	90°
β	93.427 ± 0.003°
γ	90°
Cell volume	21318 ± 5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1969
Residual factor for significantly intense reflections	0.1175
Weighted residual factors for significantly intense reflections	0.28
Weighted residual factors for all reflections included in the refinement	0.3528
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
256025 (current)	2020-09-06	cif/ Updating files of 7126816, 7126817, 7126818, 7126819, 7126820, 7126821, 7126822, 7126823 Original log message: Adding full bibliography for 7126816--7126823.cif.	7126822.cif
253700	2020-07-04	cif/ Adding structures of 7126816, 7126817, 7126818, 7126819, 7126820, 7126821, 7126822, 7126823 via cif-deposit CGI script.	7126822.cif