Crystallography Open Database

Information card for entry 7224226

Preview

Coordinates	7224226.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3
Formula	C30 H45 Mn N6 Na O21
Calculated formula	C30 H35 Mn N6 Na O20.5
Title of publication	Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker
Authors of publication	Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	4196
a	11.73 ± 0.003 Å
b	19.81 ± 0.005 Å
c	17.13 ± 0.004 Å
α	90°
β	105.77 ± 0.03°
γ	90°
Cell volume	3830.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1105
Residual factor for significantly intense reflections	0.1048
Weighted residual factors for significantly intense reflections	0.2944
Weighted residual factors for all reflections included in the refinement	0.3013
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185170 (current)	2016-08-07	cif/ Updating files of 7224225, 7224226, 7224227, 7224228, 7224229, 7224230 Original log message: Adding full bibliography for 7224225--7224230.cif.	7224226.cif
176393	2016-02-12	cif/ Adding structures of 7224225, 7224226, 7224227, 7224228, 7224229, 7224230 via cif-deposit CGI script.	7224226.cif