Crystallography Open Database

Information card for entry 7124989

Preview

Coordinates	7124989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 B2 Br4 Fe N6 O6
Calculated formula	C30 H36 B2 Br4 Fe N6 O6
Title of publication	Large heterometallic coordination cages with gyrobifastigium-like geometry.
Authors of publication	Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	75
Pages of publication	11243 - 11246
a	26.14 ± 0.004 Å
b	8.4019 ± 0.0012 Å
c	18.4972 ± 0.0013 Å
α	90°
β	117.658 ± 0.007°
γ	90°
Cell volume	3598.3 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
234412 (current)	2019-11-23	cif/ Adding structures of 7124989, 7124990, 7124991, 7124992, 7124993 via cif-deposit CGI script.	7124989.cif