Crystallography Open Database

Information card for entry 7053587

Preview

Coordinates	7053587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Mn N2 O7 P2
Calculated formula	C26 H24 Mn N2 O7 P2
Title of publication	N-Carbazolylmethylphosphonic acid—synthesis, metal coordination, emissive aggregate formation and spectroscopic features
Authors of publication	Buchaca, Ester; Man, Siud Pui; Motevalli, Majid; Wilson, John; Sullivan, Alice
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	11
Pages of publication	2592
a	18.373 ± 0.002 Å
b	4.7525 ± 0.0004 Å
c	29.191 ± 0.003 Å
α	90°
β	107.101 ± 0.003°
γ	90°
Cell volume	2436.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1167
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
180089 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35.	7053587.cif
93728	2014-01-13	cif/ Adding structures of 7053587 via cif-deposit CGI script.	7053587.cif