Crystallography Open Database

Information card for entry 4510084

Preview

Coordinates	4510084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H30 F30 O22 Pb6
Calculated formula	C80 H30 F30 O22 Pb6
Title of publication	Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties
Authors of publication	Santra, Atanu; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1476
a	12.581 ± 0.005 Å
b	26.347 ± 0.005 Å
c	29.852 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	9895 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.05
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179647 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/00.	4510084.cif
106311	2014-03-15	cif/ Adding structures of 4510084, 4510085, 4510086, 4510087, 4510088 via cif-deposit CGI script.	4510084.cif