Crystallography Open Database

Information card for entry 7224227

Preview

Coordinates	7224227.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4
Formula	C30 H38 N6 Ni O11
Calculated formula	C30 H36 N6 Ni O11
SMILES	C1[N]2([Ni]3456[N](CC2)(CC[N]4(CC[N]5(C1)CC(=O)O6)CC(=O)Nc1ccc(cc1)C(=O)O)CC(=O)O3)CC(=O)Nc1ccc(cc1)C(=O)O.O
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	18.78 ± 0.004 Å
b	18.11 ± 0.004 Å
c	9.2 ± 0.002 Å
α	90°
β	106.22 ± 0.05°
γ	90°
Cell volume	3004.4 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1095
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2394
Weighted residual factors for all reflections included in the refinement	0.2671
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	7224227.cif
176393	2016-02-12	cif/ Adding structures of 7224225, 7224226, 7224227, 7224228, 7224229, 7224230 via cif-deposit CGI script.	7224227.cif