Crystallography Open Database

Information card for entry 4333200

Preview

Coordinates	4333200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H54 Co2 Cu6 I16 N12 O Pb3
Calculated formula	C73.98 H54.06 Co2 Cu6 I16 N12 O0.99 Pb3
Title of publication	Layered Heterometallic Iodoplumbate Containing a Novel Pb3Cu6I16Net: Structure and Optical Properties
Authors of publication	Burns, Michael C.; Tershansy, Meredith A.; Ellsworth, Joseph M.; Khaliq, Zeeshan; Peterson, LeRoy; Smith, Mark D.; zur Loye, Hans-Conrad
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10437 - 10439
a	14.7797 ± 0.0003 Å
b	14.7797 ± 0.0003 Å
c	25.3168 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	4789.3 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	8
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
179435 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/32.	4333200.cif
98850	2014-01-30	cif/ Adding structures of 4333200 via cif-deposit CGI script.	4333200.cif