Crystallography Open Database

Information card for entry 1529456

Preview

Coordinates	1529456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N O5 Pb
Calculated formula	C14 H13 N O5 Pb
Title of publication	A new small molecule gelator and 3D framework ligator of lead(ii)
Authors of publication	Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	42
Pages of publication	8139
a	19.0391 ± 0.0002 Å
b	19.0391 ± 0.0002 Å
c	8.0073 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2902.54 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0409
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171098 (current)	2015-12-09	cif/ Updating files of 1529456 Original log message: Adding full bibliography for 1529456.cif.	1529456.cif
153638	2015-08-25	cif/ Adding structures of 1529456 via cif-deposit CGI script.	1529456.cif