Crystallography Open Database

Information card for entry 1568536

Preview

Coordinates	1568536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 N5 O5 Pb
Calculated formula	C18 H10 N5 O5 Pb
Title of publication	A bifunctionalised Pb-based MOF for iodine capture and dye removal
Authors of publication	Kamal, Samrah; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer
Journal of publication	Dalton Transactions
Year of publication	2023
Journal volume	52
Journal issue	14
Pages of publication	4501 - 4516
a	8.2616 ± 0.0003 Å
b	9.3161 ± 0.0004 Å
c	10.9658 ± 0.0004 Å
α	99.275 ± 0.001°
β	93.184 ± 0.001°
γ	96.722 ± 0.001°
Cell volume	824.85 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.0461
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1568536.cif
281142	2023-02-25	cif/ Adding structures of 1568536 via cif-deposit CGI script.	1568536.cif