Crystallography Open Database

Information card for entry 7049787

Preview

Coordinates	7049787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H57 Al3 N6 Si4
Calculated formula	C27 H57 Al3 N6 Si4
Title of publication	Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.
Authors of publication	Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7442 - 7450
a	18.013 ± 0.007 Å
b	14.239 ± 0.006 Å
c	15.42 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3955 ± 3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
224461 (current)	2019-11-08	cif/ Updating files of 7049785, 7049786, 7049787, 7049788 Original log message: Adding full bibliography for 7049785--7049788.cif.	7049787.cif
214728	2019-04-24	cif/ Adding structures of 7049785, 7049786, 7049787, 7049788 via cif-deposit CGI script.	7049787.cif